CID 3779

Isoproterenol

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)NCC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3

InChIKey

JWZZKOKVBUJMES-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 33860
References: 74672
Patents: 211.12085 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.12813	148.2
[M+Na]+	234.11007	153.7
[M-H]-	210.11357	147.9
[M+NH4]+	229.15467	164.8
[M+K]+	250.08401	151.3
[M+H-H2O]+	194.11811	142.6
[M+HCOO]-	256.11905	167.2
[M+CH3COO]-	270.13470	185.1
[M+Na-2H]-	232.09552	150.1
[M]+	211.12030	146.2
[M]-	211.12140	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe